UCSF

ZINC59191898

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 30 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.09 10.33 -30.36 3 5 1 57 400.502 9
Mid Mid (pH 6-8) 5.09 9.87 -11.53 2 5 0 55 399.494 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )